%chk=000066994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066994

0 1
 O    1.958100      -1.460700       1.847300    
 O   0.1518000     -7.1699999E-02  -2.258500    
 O    2.965600       2.667500      0.1156000    
 N    2.381600      0.6396000       1.027700    
 N    1.478800       1.333800      -1.023000    
 C   0.5266000     -0.6473000      6.7000002E-02
 C  -0.7180000     -0.1106000      0.7964000    
 C   0.2918000      -2.113200     -0.3256000    
 C   -1.961600     -0.1849000     -8.9100003E-02
 C    1.690900     -0.5629000       1.049100    
 C   0.7047000      0.1955000      -1.191900    
 C   -3.202200      0.3179000      0.6510000    
 C    1.532200      -2.711300     -0.9502000    
 C   -4.439700      0.2753000     -0.2451000    
 C    2.307800       1.627400      5.2999999E-02
 C   -5.668400      0.8056000      0.4762000    
 H  -0.5615000      0.9311000       1.107700    
 H  -0.8893000     -0.6809000       1.719300    
 H  -0.5118000      -2.224900      -1.060700    
 H   8.7000001E-03  -2.712900      0.5486000    
 H   -1.846600      0.4306000     -0.9860000    
 H   -2.169000      -1.209800     -0.4085000    
 H   -3.373200     -0.2954000       1.544200    
 H   -3.033400       1.346500      0.9929000    
 H    1.860600      -2.159600      -1.836300    
 H    2.374900      -2.772400     -0.2565000    
 H    1.319200      -3.736600      -1.273500    
 H   -4.268600      0.8744000      -1.147200    
 H   -4.629000     -0.7542000     -0.5704000    
 H    3.072500      0.7794000       1.759700    
 H    1.504100       1.985400      -1.802400    
 H   -5.887200      0.2097000       1.368100    
 H   -6.541600      0.7647000     -0.1823000    
 H   -5.523900       1.845900      0.7847000    


%chk=000066994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066994

0 1
O 1.728400 -1.395085 2.036696
O 0.223183 0.131602 -2.302821
O 3.290510 2.570781 0.186098
N 2.442829 0.593677 1.104400
N 1.672914 1.359315 -0.991756
C 0.542843 -0.644935 0.014965
C -0.790523 -0.135693 0.721755
C 0.397476 -2.122106 -0.451713
C -2.090462 -0.303296 -0.094043
C 1.616497 -0.547900 1.114149
C 0.797815 0.270257 -1.192102
C -3.285794 0.384615 0.607324
C 1.686529 -2.716929 -1.056233
C -4.618625 0.185990 -0.150240
C 2.517754 1.584101 0.109194
C -5.809796 0.886777 0.537941
H -0.663429 0.933008 0.992638
H -0.871654 -0.701369 1.670336
H -0.408998 -2.158290 -1.203231
H 0.082398 -2.718412 0.423614
H -1.967868 0.115099 -1.110894
H -2.319727 -1.379042 -0.219429
H -3.391364 -0.008070 1.640460
H -3.081059 1.471414 0.705667
H 2.009613 -2.153437 -1.950865
H 2.513495 -2.727636 -0.323416
H 1.511492 -3.761146 -1.370873
H -4.509573 0.568161 -1.185442
H -4.828318 -0.899329 -0.239970
H 3.092622 0.704105 1.889978
H 1.764849 2.027692 -1.764089
H -5.957772 0.502349 1.564817
H -6.749893 0.726733 -0.021090
H -5.641464 1.977999 0.609477


